
 NSC37904

 31 32  0  0  0  0  0  0  0  0999 V2000
    0.1059   -2.2377   -3.6350 C   0  0  0  0  0
    0.4751   -3.5453   -3.9599 C   0  0  0  0  0
    0.1775   -4.6056   -3.0995 C   0  0  0  0  0
   -0.3702   -4.3195   -1.8458 C   0  0  0  0  0
   -0.7361   -3.0124   -1.5170 C   0  0  0  0  0
   -0.5257   -1.9750   -2.4214 C   0  0  0  0  0
   -1.3497   -2.7262   -0.2651 N   0  0  0  0  0
   -3.0386   -2.7293   -0.1710 S   0  0  0  0  0
   -3.3657   -2.4953    1.2211 O   0  0  0  0  0
   -3.5844   -1.8992   -1.2214 O   0  0  0  0  0
   -3.4515   -4.4246   -0.5255 C   0  0  0  0  0
   -3.4534   -5.3613    0.5111 C   0  0  0  0  0
   -3.7702   -6.6938    0.2336 C   0  0  0  0  0
   -4.0521   -7.1052   -1.0733 C   0  0  0  0  0
   -4.1253   -6.1386   -2.0823 C   0  0  0  0  0
   -3.8141   -4.8010   -1.8195 C   0  0  0  0  0
   -4.4834   -8.4123   -1.3191 N   0  0  0  0  0
    0.6261   -5.9001   -3.3938 N   0  0  0  0  0
    0.3203   -1.4241   -4.3235 H   0  0  0  0  0
    0.9904   -3.7296   -4.8995 H   0  0  0  0  0
   -0.5249   -5.1245   -1.1340 H   0  0  0  0  0
   -0.8192   -0.9586   -2.1708 H   0  0  0  0  0
   -0.9217   -3.1392    0.5614 H   0  0  0  0  0
   -3.2307   -5.0652    1.5337 H   0  0  0  0  0
   -3.8017   -7.4108    1.0503 H   0  0  0  0  0
   -4.4298   -6.4198   -3.0877 H   0  0  0  0  0
   -3.8587   -4.0677   -2.6215 H   0  0  0  0  0
   -4.3843   -8.7126   -2.2836 H   0  0  0  0  0
   -4.1330   -9.1007   -0.6605 H   0  0  0  0  0
    0.0917   -6.6300   -2.9311 H   0  0  0  0  0
    0.7264   -6.0785   -4.3887 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 21  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 22  1  0  0  0
  7  8  1  0  0  0
  7 23  1  0  0  0
  8 11  1  0  0  0
  8 10  2  0  0  0
  8  9  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
 13 14  2  0  0  0
 13 25  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 26  1  0  0  0
 16 27  1  0  0  0
 17 28  1  0  0  0
 17 29  1  0  0  0
 18 30  1  0  0  0
 18 31  1  0  0  0
M  END

>  <Chemical Name>
NSC37904

>  <PubChem CID>
235964

>  <Formula>
C12H13N3O2S

>  <Molecular Weight>
263.315000

>  <IUPAC Name>
4-amino-N-(3-aminophenyl)benzenesulfonamide

>  <XlogP>
0.900

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)N

>  <Isomeric SMILES>
C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N)N

>  <InChI Std. ID>
InChI=1S/C12H13N3O2S/c13-9-4-6-12(7-5-9)18(16,17)15-11-3-1-2-10(14)8-11/h1-8,15H,13-14H2

>  <InChI Key>
AETYVJKNUMRBSP-UHFFFAOYSA-N

